3-(1,2-dimethylindol-5-yl)aniline

C16H16N2 — CID 116996409

IUPAC3-(1,2-dimethylindol-5-yl)aniline
SMILESCc1cc2cc(-c3cccc(N)c3)ccc2n1C
InChIInChI=1S/C16H16N2/c1-11-8-14-9-13(6-7-16(14)18(11)2)12-4-3-5-15(17)10-12/h3-10H,17H2,1-2H3
InChIKeyHOPCJLZZCRFWGN-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.74
Rot. Bonds1

About 3-(1,2-dimethylindol-5-yl)aniline

3-(1,2-dimethylindol-5-yl)aniline (PubChem CID 116996409) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(1,2-dimethylindol-5-yl)aniline.

Molecular Properties

Compound Name3-(1,2-dimethylindol-5-yl)aniline
PubChem CID116996409
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(1,2-dimethylindol-5-yl)aniline
SMILESCc1cc2cc(-c3cccc(N)c3)ccc2n1C
InChIInChI=1S/C16H16N2/c1-11-8-14-9-13(6-7-16(14)18(11)2)12-4-3-5-15(17)10-12/h3-10H,17H2,1-2H3
InChIKeyHOPCJLZZCRFWGN-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-dimethylindol-5-yl)aniline
CID 116996411
1,2-dimethylindol-5-amine
CID 6484710
[3-(1,2-dimethylindol-5-yl)phenyl]methanamine
CID 116996413
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)aniline
CID 116983332
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
3-(4-propan-2-ylphenyl)aniline
CID 28911760
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
3-(3-aminophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 115018388
1,2-dimethylindole;4-methylpyridine
CID 91261602
5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
CID 67199242
3-[4-(aminomethyl)phenyl]aniline
CID 1394417

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylindol-5-yl)aniline?
The IUPAC name of 3-(1,2-dimethylindol-5-yl)aniline (CID 116996409) is 3-(1,2-dimethylindol-5-yl)aniline.
What is the SMILES notation for 3-(1,2-dimethylindol-5-yl)aniline?
The canonical SMILES for 3-(1,2-dimethylindol-5-yl)aniline is Cc1cc2cc(-c3cccc(N)c3)ccc2n1C.
What is the InChIKey of 3-(1,2-dimethylindol-5-yl)aniline?
The InChIKey is HOPCJLZZCRFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-8-14-9-13(6-7-16(14)18(11)2)12-4-3-5-15(17)10-12/h3-10H,17H2,1-2H3.
What are the key properties of 3-(1,2-dimethylindol-5-yl)aniline?
3-(1,2-dimethylindol-5-yl)aniline has a molecular weight of 236.32 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylindol-5-yl)aniline is sourced from PubChem (CID 116996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).